3-pentyl-1-phenylpyrrole

C15H19N — CID 177458956

IUPAC3-pentyl-1-phenylpyrrole
SMILESCCCCCc1ccn(-c2ccccc2)c1
InChIInChI=1S/C15H19N/c1-2-3-5-8-14-11-12-16(13-14)15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3
InChIKeyFQQMXXAELOQPKA-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.21
Rot. Bonds5

About 3-pentyl-1-phenylpyrrole

3-pentyl-1-phenylpyrrole (PubChem CID 177458956) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-pentyl-1-phenylpyrrole.

Molecular Properties

Compound Name3-pentyl-1-phenylpyrrole
PubChem CID177458956
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-pentyl-1-phenylpyrrole
SMILESCCCCCc1ccn(-c2ccccc2)c1
InChIInChI=1S/C15H19N/c1-2-3-5-8-14-11-12-16(13-14)15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3
InChIKeyFQQMXXAELOQPKA-UHFFFAOYSA-N
XLogP4.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-pentyl-1-phenylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-phenylpyrrole
CID 21279644
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
1-methyl-3-tricosylpyrrole
CID 68544519
3-dodecyl-1-ethylpyrrole
CID 66960014
azane;tetradecylbenzene
CID 70503489
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1-phenylpyrrole?
The IUPAC name of 3-pentyl-1-phenylpyrrole (CID 177458956) is 3-pentyl-1-phenylpyrrole.
What is the SMILES notation for 3-pentyl-1-phenylpyrrole?
The canonical SMILES for 3-pentyl-1-phenylpyrrole is CCCCCc1ccn(-c2ccccc2)c1.
What is the InChIKey of 3-pentyl-1-phenylpyrrole?
The InChIKey is FQQMXXAELOQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-3-5-8-14-11-12-16(13-14)15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3.
What are the key properties of 3-pentyl-1-phenylpyrrole?
3-pentyl-1-phenylpyrrole has a molecular weight of 213.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1-phenylpyrrole is sourced from PubChem (CID 177458956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).